x	y	z	Uiso*/Ueq
O1B	−0.19166 (16)	0.67530 (11)	0.52669 (10)	0.0288 (3)
O2B	−0.38294 (16)	0.47146 (11)	0.40815 (11)	0.0309 (3)
H2B	−0.3493	0.5402	0.4563	0.046*
O3B	−0.25490 (16)	0.37708 (11)	0.26154 (11)	0.0308 (3)
O4B	0.41267 (18)	0.58644 (12)	0.16868 (12)	0.0360 (3)
O5B	0.59770 (17)	0.75622 (12)	0.28233 (13)	0.0378 (3)
O6B	0.34447 (19)	0.93705 (13)	0.62652 (14)	0.0466 (4)
O7B	0.02866 (19)	0.91669 (12)	0.61489 (13)	0.0407 (3)
N1B	0.1720 (2)	0.88464 (13)	0.58134 (13)	0.0293 (3)
N2B	0.43937 (19)	0.67328 (13)	0.25380 (13)	0.0277 (3)
C1B	−0.0459 (2)	0.68012 (14)	0.46271 (13)	0.0220 (3)
C2B	−0.0571 (2)	0.57869 (14)	0.36592 (13)	0.0216 (3)
C3B	0.0986 (2)	0.57928 (14)	0.29803 (13)	0.0224 (3)
H3B	0.0860	0.5126	0.2331	0.027*
C4B	0.2742 (2)	0.67709 (15)	0.32417 (14)	0.0235 (3)
C5B	0.2969 (2)	0.77675 (14)	0.41652 (14)	0.0242 (3)
H5B	0.4187	0.8428	0.4339	0.029*
C6B	0.1396 (2)	0.77858 (15)	0.48287 (14)	0.0240 (3)
C7B	−0.2410 (2)	0.46764 (15)	0.34003 (14)	0.0240 (3)
N1A	−0.2236 (2)	0.05132 (13)	−0.17302 (13)	0.0301 (3)
N2A	−0.01482 (18)	0.22563 (12)	−0.06974 (12)	0.0236 (3)
N3A	0.34673 (18)	0.20535 (12)	0.28180 (12)	0.0247 (3)
H3AA	0.3273	0.1193	0.2584	0.030*
H3AB	0.3097	0.2146	0.3598	0.030*
H3AC	0.4776	0.2474	0.2829	0.030*
C1A	−0.0393 (2)	0.12597 (15)	−0.15759 (15)	0.0267 (3)
H1A	0.0635	0.1112	−0.2029	0.032*
C2A	−0.3211 (2)	0.10673 (16)	−0.08994 (16)	0.0311 (4)
H2A	−0.4575	0.0745	−0.0793	0.037*
C3A	−0.1954 (2)	0.21366 (16)	−0.02562 (15)	0.0290 (4)
H3A	−0.2257	0.2692	0.0372	0.035*
C4A	0.1721 (2)	0.32486 (15)	−0.02842 (14)	0.0265 (3)
H4AA	0.1419	0.4032	0.0094	0.032*
H4AB	0.2423	0.3502	−0.1023	0.032*
C5A	0.3076 (2)	0.27761 (16)	0.06655 (14)	0.0270 (3)
H5AA	0.3236	0.1929	0.0335	0.032*
H5AB	0.4405	0.3407	0.0792	0.032*
C6A	0.2253 (2)	0.26209 (16)	0.19094 (14)	0.0276 (3)
H6AA	0.2200	0.3483	0.2271	0.033*
H6AB	0.0877	0.2051	0.1769	0.033*